Chemical ID: 4489862

Cc1ccc(cc1)C(=O)NCCc2nnc(n2CC=C)SCC(=O)Nc3ccccc3F
Chemical ID:
4489862
Name [?]:
N-[2-[4-allyl-5-[(2-fluorophenyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCCc2nnc(n2CC=C)SCC(=O)Nc3ccccc3F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H24FN5O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.1785
Area:710.383
Solvation:-4.58107
Coulombic:-60.2375
Bond Count [?]
All:34
Single:23
Double:11
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:453.534
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.07
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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